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AT6
AT6
表記:N-[2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL]-4-CYANOBENZAMIDE
組成式:C16 H16 N4 O
SMILES:N#Cc1ccc(cc1)C(=O)NCCc2nc(N)cc(c2)C
InChi:InChI=1S/C16H16N4O/c1-11-8-14(20-15(18)9-11)6-7-19-16(21)13-4-2-12(10-17)3-5-13/h2-5,8-9H,6-7H2,1H3,(H2,18,20)(H,19,21)
定義日:2005-12-16
最終更新日:2011-06-04
識別子（ID）:N-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-4-cyanobenzamide
ATD
ATD
表記:THYMIDINE-3'-PHOSPHATE
組成式:C10 H15 N2 O8 P
SMILES:O=C1NC(=O)N(C=C1C)C2OC(C(OP(=O)(O)O)C2)CO
InChi:InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(7(4-13)19-8)20-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8-/m0/s1
定義日:1999-09-29
最終更新日:2011-06-04
識別子（ID）:3'-thymidylic acid
ATF
ATF
表記:PHOSPHODIFLUOROMETHYLPHOSPHONIC ACID-ADENYLATE ESTER
組成式:C11 H16 F2 N5 O12 P3
SMILES:FC(F)(P(=O)(O)O)P(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C11H16F2N5O12P3/c12-11(13,31(21,22)23)32(24,25)30-33(26,27)28-1-4-6(19)7(20)10(29-4)18-3-17-5-8(14)15-2-16-9(5)18/h2-4,6-7,10,19-20H,1H2,(H,24,25)(H,26,27)(H2,14,15,16)(H2,21,22,23)/t4-,6-,7-,10-/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:5'-O-[(R)-{[(R)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine
ATH
ATH
表記:4-HYDROXY-ACONITATE ION
組成式:C6 H3 O7
SMILES:[O-]C(=O)C(O)C(=C/C([O-])=O)C(=O)[O-]
InChi:InChI=1S/C6H6O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h1,4,9H,(H,7,8)(H,10,11)(H,12,13)/p-3/b2-1+/t4-/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(1E,3R)-3-hydroxyprop-1-ene-1,2,3-tricarboxylate
ATL
ATL
表記:[(1S,3R,4S,7R)-7-HYDROXY-3-(THYMIN-1-YL)-2,5-DIOXABICYCLO[2.2.1]HEPT-1-YL]METHYL DIHYDROGEN PHOSPHATE
組成式:C11 H15 N2 O9 P
SMILES:O=C1C(=CN(C(=O)N1)C3OC2(C(O)C3OC2)COP(=O)(O)O)C
InChi:InChI=1S/C11H15N2O9P/c1-5-2-13(10(16)12-8(5)15)9-6-7(14)11(22-9,3-20-6)4-21-23(17,18)19/h2,6-7,9,14H,3-4H2,1H3,(H,12,15,16)(H2,17,18,19)/t6-,7+,9+,11-/m0/s1
定義日:2002-02-06
最終更新日:2011-06-04
識別子（ID）:1-{2,5-anhydro-4-[(phosphonooxy)methyl]-beta-D-lyxofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione
ATM
ATM
表記:3'-AZIDO-3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE
組成式:C10 H14 N5 O7 P
SMILES:O=C1NC(=O)N(C=C1C)C2OC(C(N=[N+]=[N-])C2)COP(=O)(O)O
InChi:InChI=1S/C10H14N5O7P/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(22-8)4-21-23(18,19)20/h3,6-8H,2,4H2,1H3,(H,12,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:3'-azido-3'-deoxythymidine 5'-(dihydrogen phosphate)
ATP
ATP
表記:ADENOSINE-5'-TRIPHOSPHATE
組成式:C10 H16 N5 O13 P3
SMILES:O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:adenosine 5'-(tetrahydrogen triphosphate)
ATQ
ATQ
表記:2-AMINOTHIAZOLINE
組成式:C3 H6 N2 S
SMILES:N1=C(SCC1)N
InChi:InChI=1S/C3H6N2S/c4-3-5-1-2-6-3/h1-2H2,(H2,4,5)
定義日:1999-09-23
最終更新日:2011-06-04
識別子（ID）:4,5-dihydro-1,3-thiazol-2-amine
ATR
ATR
表記:2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE
組成式:C10 H16 N5 O13 P3
SMILES:O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(OP(=O)(O)O)C3O
InChi:InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(27-29(17,18)19)6(16)4(26-10)1-25-31(23,24)28-30(20,21)22/h2-4,6-7,10,16H,1H2,(H,23,24)(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:adenosine 2'-(dihydrogen phosphate) 5'-(trihydrogen diphosphate)
ATS
ATS
表記:GAMMA-ARSONO-BETA, GAMMA-METHYLENEADENOSINE-5'-DIPHOSPHATE
組成式:C11 H18 As N5 O12 P2
SMILES:O=[As](O)(O)CP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C11H18AsN5O12P2/c13-9-6-10(15-3-14-9)17(4-16-6)11-8(19)7(18)5(28-11)1-27-31(25,26)29-30(23,24)2-12(20,21)22/h3-5,7-8,11,18-19H,1-2H2,(H,23,24)(H,25,26)(H2,13,14,15)(H2,20,21,22)/t5-,7-,8-,11-/m1/s1
定義日:2001-03-28
最終更新日:2011-06-04
識別子（ID）:5'-O-[(S)-{[(R)-(arsonomethyl)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine
ATT
ATT
表記:2-[3-(5-MERCAPTO-[1,3,4]THIADIAZOL-2-YL)-UREIDO]-N-METHYL-3-PHENYL-PROPIONAMIDE
組成式:C13 H15 N5 O2 S2
SMILES:O=C(Nc1nnc(S)s1)NC(C(=O)NC)Cc2ccccc2
InChi:InChI=1S/C13H15N5O2S2/c1-14-10(19)9(7-8-5-3-2-4-6-8)15-11(20)16-12-17-18-13(21)22-12/h2-6,9H,7H2,1H3,(H,14,19)(H,18,21)(H2,15,16,17,20)/t9-/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:N-methyl-Nalpha-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]-L-phenylalaninamide
ATY
ATY
表記:3'-O-ACETYLTHYMIDINE-5'-DIPHOSPHATE
組成式:C12 H18 N2 O12 P2
SMILES:O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2OC(=O)C
InChi:InChI=1S/C12H18N2O12P2/c1-6-4-14(12(17)13-11(6)16)10-3-8(24-7(2)15)9(25-10)5-23-28(21,22)26-27(18,19)20/h4,8-10H,3,5H2,1-2H3,(H,21,22)(H,13,16,17)(H2,18,19,20)/t8-,9+,10+/m0/s1
定義日:2000-03-09
最終更新日:2011-06-04
識別子（ID）:3'-O-acetylthymidine 5'-(trihydrogen diphosphate)
AUP
AUP
表記:2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-TETRAHYDRO-2H-ISOPHOSPHINDOL-1-YL)PYRIDINE
組成式:C24 H21 N2 P
SMILES:n1ccccc1c3c5c(c(c2ncccc2)p3c4ccccc4)CCCC5
InChi:InChI=1S/C24H21N2P/c1-2-10-18(11-3-1)27-23(21-14-6-8-16-25-21)19-12-4-5-13-20(19)24(27)22-15-7-9-17-26-22/h1-3,6-11,14-17H,4-5,12-13H2
定義日:2005-07-20
最終更新日:2011-06-04
識別子（ID）:2,2'-(2-phenyl-4,5,6,7-tetrahydro-2H-isophosphindole-1,3-diyl)dipyridine
AVC
AVC
表記:ADENOSINE-5'-MONOPHOSPHATE-2',3'-VANADATE
組成式:C10 H13 N5 O9 P V
SMILES:O=[V]1(OC2C(OC(C2O1)COP(=O)(O)O)n3c4ncnc(N)c4nc3)O
InChi:InChI=1S/C10H12N5O7P.H2O.O.V/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20
定義日:2002-07-25
最終更新日:2011-06-04
識別子（ID）:[5'-adenylato(2-)-kappa~2~O~2'~,O~3'~](hydroxy)oxovanadium
AVD
AVD
表記:1-(2-carboxyphenyl)-7-chloro-6-[(2-chloro-4,6-difluorophenyl)amino]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
組成式:C23 H12 Cl2 F2 N2 O5
SMILES:Fc1cc(F)cc(Cl)c1Nc4c(Cl)cc2c(C(=O)C(=CN2c3ccccc3C(=O)O)C(=O)O)c4
InChi:InChI=1S/C23H12Cl2F2N2O5/c24-14-8-19-12(7-17(14)28-20-15(25)5-10(26)6-16(20)27)21(30)13(23(33)34)9-29(19)18-4-2-1-3-11(18)22(31)32/h1-9,28H,(H,31,32)(H,33,34)
定義日:2008-03-11
最終更新日:2011-06-04
識別子（ID）:1-(2-carboxyphenyl)-7-chloro-6-[(2-chloro-4,6-difluorophenyl)amino]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
AVX
AVX
表記:3-(7-bromo-1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazol-5-amine
組成式:C11 H10 Br N3 O2
SMILES:Brc1cc(cc2OCOc12)c3nn(c(N)c3)C
InChi:InChI=1S/C11H10BrN3O2/c1-15-10(13)4-8(14-15)6-2-7(12)11-9(3-6)16-5-17-11/h2-4H,5,13H2,1H3
定義日:2010-09-29
最終更新日:2011-06-04
識別子（ID）:3-(7-bromo-1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazol-5-amine
AX1
AX1
表記:2-amino-6-(1,3-benzodioxol-5-yl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
組成式:C14 H9 N5 O3
SMILES:N#Cc4c1C(=O)NC(=Nc1nc4c2ccc3OCOc3c2)N
InChi:InChI=1S/C14H9N5O3/c15-4-7-10-12(18-14(16)19-13(10)20)17-11(7)6-1-2-8-9(3-6)22-5-21-8/h1-3H,5H2,(H4,16,17,18,19,20)
定義日:2007-12-20
最終更新日:2011-06-04
識別子（ID）:2-amino-6-(1,3-benzodioxol-5-yl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
AX5
AX5
表記:6-(benzylsulfanyl)pyrimidine-2,4-diamine
組成式:C11 H12 N4 S
SMILES:S(c1nc(nc(N)c1)N)Cc2ccccc2
InChi:InChI=1S/C11H12N4S/c12-9-6-10(15-11(13)14-9)16-7-8-4-2-1-3-5-8/h1-6H,7H2,(H4,12,13,14,15)
定義日:2007-12-20
最終更新日:2011-06-04
識別子（ID）:6-(benzylsulfanyl)pyrimidine-2,4-diamine
AX7
AX7
表記:1H-benzimidazol-2-amine
組成式:C7 H7 N3
SMILES:n2c1ccccc1nc2N
InChi:InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10)
定義日:2007-12-20
最終更新日:2011-06-04
識別子（ID）:1H-benzimidazol-2-amine
AX8
AX8
表記:1-(3,4-dichlorobenzyl)-1H-benzimidazol-2-amine
組成式:C14 H11 Cl2 N3
SMILES:Clc1ccc(cc1Cl)Cn2c3ccccc3nc2N
InChi:InChI=1S/C14H11Cl2N3/c15-10-6-5-9(7-11(10)16)8-19-13-4-2-1-3-12(13)18-14(19)17/h1-7H,8H2,(H2,17,18)
定義日:2007-12-20
最終更新日:2011-06-04
識別子（ID）:1-(3,4-dichlorobenzyl)-1H-benzimidazol-2-amine
AXB
AXB
表記:N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2-carboxamide 7,7-dioxide
組成式:C24 H21 N5 O6 S2
SMILES:O=C1C(N)=C(C1=O)N3CCc2ccc(cc2C3)CNC(=O)C5=Nc4sc6c(c4C(=O)N5)CCS(=O)(=O)C6
InChi:InChI=1S/C24H21N5O6S2/c25-17-18(20(31)19(17)30)29-5-3-12-2-1-11(7-13(12)9-29)8-26-23(33)21-27-22(32)16-14-4-6-37(34,35)10-15(14)36-24(16)28-21/h1-2,7H,3-6,8-10,25H2,(H,26,33)(H,27,28,32)
定義日:2008-07-10
最終更新日:2011-06-04
識別子（ID）:N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2-carboxamide 7,7-dioxide
AXD
AXD
表記:2-[4-({2-[(2S,5R)-2-(AMINOMETHYL)-5-ETHYNYLPYRROLIDIN-1-YL]-2-OXOETHYL}AMINO)-4-METHYLPIPERIDIN-1-YL]ISONICOTINIC ACID
組成式:C21 H29 N5 O3
SMILES:O=C(O)c1cc(ncc1)N3CCC(NCC(=O)N2C(C#C)CCC2CN)(CC3)C
InChi:InChI=1S/C21H29N5O3/c1-3-16-4-5-17(13-22)26(16)19(27)14-24-21(2)7-10-25(11-8-21)18-12-15(20(28)29)6-9-23-18/h1,6,9,12,16-17,24H,4-5,7-8,10-11,13-14,22H2,2H3,(H,28,29)/t16-,17-/m0/s1
定義日:2006-08-23
最終更新日:2011-06-04
識別子（ID）:2-[4-({2-[(2S,5R)-2-(aminomethyl)-5-ethynylpyrrolidin-1-yl]-2-oxoethyl}amino)-4-methylpiperidin-1-yl]pyridine-4-carboxylic acid
AYL
AYL
表記:5'-O-{(S)-hydroxy[3-(4-hydroxyphenyl)propoxy]phosphoryl}adenosine
組成式:C19 H24 N5 O8 P
SMILES:O=P(OCCCc1ccc(O)cc1)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O
InChi:InChI=1S/C19H24N5O8P/c20-17-14-18(22-9-21-17)24(10-23-14)19-16(27)15(26)13(32-19)8-31-33(28,29)30-7-1-2-11-3-5-12(25)6-4-11/h3-6,9-10,13,15-16,19,25-27H,1-2,7-8H2,(H,28,29)(H2,20,21,22)/t13-,15-,16-,19-/m1/s1
定義日:2010-06-28
最終更新日:2011-06-04
識別子（ID）:5'-O-{(S)-hydroxy[3-(4-hydroxyphenyl)propoxy]phosphoryl}adenosine
AYQ
AYQ
表記:N~2~-({(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-D-glutaminyl-D-aspartamide
組成式:C21 H29 N6 O10 P
SMILES:O=C(NC)C2C(c1ccc(OP(=O)(O)O)cc1)C2C(=O)NC(C(=O)NC(C(=O)N)CC(=O)N)CCC(=O)N
InChi:InChI=1S/C21H29N6O10P/c1-25-20(32)16-15(9-2-4-10(5-3-9)37-38(34,35)36)17(16)21(33)26-11(6-7-13(22)28)19(31)27-12(18(24)30)8-14(23)29/h2-5,11-12,15-17H,6-8H2,1H3,(H2,22,28)(H2,23,29)(H2,24,30)(H,25,32)(H,26,33)(H,27,31)(H2,34,35,36)/t11-,12-,15-,16+,17+/m0/s1
定義日:2009-09-28
最終更新日:2011-06-04
識別子（ID）:N~2~-({(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-L-glutaminyl-L-aspartamide
AYX
AYX
表記:4-{[(3-nitrophenyl)carbamoyl]amino}benzenesulfonamide
組成式:C13 H12 N4 O5 S
SMILES:O=S(=O)(N)c2ccc(NC(=O)Nc1cccc([N+]([O-])=O)c1)cc2
InChi:InChI=1S/C13H12N4O5S/c14-23(21,22)12-6-4-9(5-7-12)15-13(18)16-10-2-1-3-11(8-10)17(19)20/h1-8H,(H2,14,21,22)(H2,15,16,18)
定義日:2010-05-26
最終更新日:2011-06-04
識別子（ID）:4-{[(3-nitrophenyl)carbamoyl]amino}benzenesulfonamide

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